Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C14H20O4/c1-4-5-6-7-18-11-8-13(16-2)12(10-15)14(9-11)17-3/h8-10H,4-7H2,1-3H3
SMILES CCCCCOc1cc(OC)c(c(c1)OC)C=O
InChI Key PVZCKASEQDSYKO-UHFFFAOYSA-N
Molecular Formula C14H20O4
Exact Mass 252.306 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/PVZCKASEQDSYKO-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/PVZCKASEQDSYKO-UHFFFAOYSA-N/IR
Version
Author Stefan Bräse
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-06-27
Related Molecule
  • 2,6-dimethoxy-4-pentoxybenzaldehyde
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    138453727 PubChem
    The data in this table is sourced from UniChem at EBI.